65292-99-1Relevant articles and documents
Discovery of SARS-CoV-2 main protease inhibitors using a synthesis-directed: De novo design model
Morris, Aaron,McCorkindale, William,Drayman, Nir,Chodera, John D.,Tay, Sava?,London, Nir,Lee, Alpha A.
supporting information, p. 5909 - 5912 (2021/06/27)
The SARS-CoV-2 main viral protease (Mpro) is an attractive target for antivirals given its distinctiveness from host proteases, essentiality in the viral life cycle and conservation across coronaviridae. We launched the COVID Moonshot initiative to rapidly develop patent-free antivirals with open science and open data. Here we report the use of machine learning for de novo design, coupled with synthesis route prediction, in our campaign. We discover novel chemical scaffolds active in biochemical and live virus assays, synthesized with model generated routes. This journal is
Kinetic Resolution of Neopentylic Secondary Alcohols by Cu-H-Catalyzed Enantioselective Silylation with Hydrosilanes
Oestreich, Martin,Papadopulu, Zaneta
supporting information, p. 438 - 441 (2021/01/13)
A nonenzymatic kinetic resolution of sterically congested alcohols having a quaternary carbon atom in the β-position is reported. The catalyst system CuCl/NaOtBu/(R,R)-Ph-BPE together with a 3,5-xylyl-substituted tertiary hydrosilane enable enantioselective silylation of the hydroxy group. Several alcohols are obtained with good to excellent selectivity factors, and there are no other known straightforward methods to access these motifs.
Transaminase-Catalyzed Continuous Synthesis of Biogenic Aldehydes
Contente, Martina L.,Paradisi, Francesca
, p. 2830 - 2833 (2019/08/12)
The physiological role of biogenic aldehydes, such as 3,4-dihydroxyphenylacetaldehyde (DOPAL), has been associated with cardiovascular and neurodegenerative disorders. The availability of these substrates is limited and robust synthetic methodologies would greatly facilitate further biological studies. Herein, a transaminase-mediated single-step process in continuous mode, which leads to excellent product yields (90–95 %), is reported. Coimmobilization of the pyridoxal phosphate (PLP) cofactor eliminated the need for exogenous addition of this reagent without affecting the longevity of the system, delivering a truly self-sufficient process.